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41995-29-3 molecular structure
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6-propylpyridin-2-amine

ChemBase ID: 815903
Molecular Formular: C8H12N2
Molecular Mass: 136.19428
Monoisotopic Mass: 136.10004839
SMILES and InChIs

SMILES:
n1c(cccc1CCC)N
Canonical SMILES:
CCCc1cccc(n1)N
InChI:
InChI=1S/C8H12N2/c1-2-4-7-5-3-6-8(9)10-7/h3,5-6H,2,4H2,1H3,(H2,9,10)
InChIKey:
JDRTXRTVJTWITJ-UHFFFAOYSA-N

Cite this record

CBID:815903 http://www.chembase.cn/molecule-815903.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
6-propylpyridin-2-amine
IUPAC Traditional name
6-propylpyridin-2-amine
Synonyms
6-PROPYLPYRIDIN-2-AMINE
CAS Number
41995-29-3

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
A&J Pharmtech AJA-O39105 external link Add to cart
Data Source Data ID Price
A&J Pharmtech
AJA-O39105 external link Add to cart Please log in.
Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 0.17115909  LogD (pH = 7.4) 1.5061923 
Log P 1.7975796  Molar Refractivity 42.7344 cm3
Polarizability 16.023037 Å3 Polar Surface Area 38.91 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Product Information Bioassay(PubChem)
Purity
98% expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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